methyltriphenylphosphanium iodide

• ChemBase ID: 80955
• Molecular Formular: C19H18IP
• Molecular Mass: 404.224451
• Monoisotopic Mass: 404.01908521
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C.[I-]
• Canonical SMILES: C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
• InChI: InChI=1S/C19H18P.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
• InChIKey: JNMIXMFEVJHFNY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: methyltriphenylphosphanium iodide
• IUPAC Traditional name: methyltriphenylphosphanium iodide
• Synonyms: TRIPHENYLMETHYL PHOSPHONIUM IODIDE; Methyltriphenylphosphonium iodide; methyl(triphenyl)phosphonium iodide; Methyltriphenylphosphonium iodide; Methyl(trisphenyl)phosphonium iodide; 甲基三苯基碘化膦; 三苯基甲基碘化磷鎓

Database IDs

• CAS Number: 2065-66-9
• EC Number: 218-178-5
• MDL Number: MFCD00066175
• PubChem SID: 162068074; 24854729
• PubChem CID: 638159

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.731569
• LogD (pH = 7.4): 4.731569
• Log P: 4.731569
• Molar Refractivity: 87.172 cm^3
• Polarizability: 34.434486 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183-185 °C(lit.); 185-188°C; 185-188°C

Safety Information

• Storage Warning: Light Sensitive & Hygroscopic; Toxic/Hygroscopic/Light Sensitive/Moisture Sensitive
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: UN3464
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37-45
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P309+P311
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%; 98%
• Linear Formula: CH3P(C6H5)3I

DETAILS

MP Biomedicals - 05221210

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 245054

Packaging
25 g in glass bottle
Legal Information
Product of Fluorous Technologies, Inc.
Application
Reactant for synthesis of:
• Triphenylamine-based dyes1 and polyolefinic aromatic molecules with pyrene2 for use in dye-sensitized solar cells
• Diastereoisomeric carba analogs of glycal-derived vinyl epoxides for the production of carbasugars3
• Alkaloid natural products via organocascade catalysis4
• Triplet carbenes via oxidation of allene compounds5
• Stilbenes via dehydrohalogenation-Heck olefination and Wittig-Heck reactions6

REFERENCES

• Ylide precursor. Effective catalyst for addition of Trimethylsilyl cyanide, A19598 to aldehydes: Tetrahedron Lett., 44, 6157 (2003).